SCHEMBL1397809

SCHEMBL1397809

O=C(O)C12CC3CC1CC(c1ccc([N+](=O)[O-])cc1)(C3)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
PGR P06401 3/20 0.54
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SRD5A2 P31213 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1397828 0.89 NPC1 (0.60) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL2162389 0.83 GRIN2D (0.50) NPC1PGRALDH1A1MEN1KMT2A
SCHEMBL3540640 0.81 NPC1 (0.69) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL1397817 0.78 NPC1 (0.61) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL5130200 0.76 RAB9A (0.56) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL18992826 0.76 NPC1 (1.00) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL8087323 0.75 NPC1 (0.64) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL1397727 0.74 NPC1 (0.51) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL18992722 0.73 NPC1 (0.69) NPC1RAB9APGRALDH1A1MEN1
SCHEMBL24274129 0.72 GRIN2D (0.51) PGRALDH1A1MEN1KMT2AGRIN2D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 US disclosed
EP-2004601-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LAB LTD (IN) 2011-03-02 EP disclosed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NPC1 110/4885RAB9A 2811/4885PGR 3802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.